1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-(phenylmethoxycarbonylamino)ethanoate

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: 1-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 2-(benzyloxycarbonylamino)acetate CAS Name: 2-(phenylmethoxycarbonylamino)acetic acid 1-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 1-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(phenylmethoxycarbonylamino)acetate Traditional Name: 2-(benzyloxycarbonylamino)acetic acid 1-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C19H21N5O6 MolecularWeight: 415.39994

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC2=C1C(=O)N(C(=O)N2C)C)OC(=O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(N1C=NC2=C1C(=O)N(C(=O)N2C)C)OC(=O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O6/c1-12(24-11-21-16-15(24)17(26)23(3)19(28)22(16)2)30-14(25)9-20-18(27)29-10-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,27)